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Substance Name: Malonic acid
RN: 141-82-2
UNII: 9KX7ZMG0MK
InChIKey: OFOBLEOULBTSOW-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C3-H4-O4

Molecular Weight

  • 104.061
 
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Names and Synonyms

Name of Substance

  • Malonic acid

Synonyms

  • 4-02-00-01874 (Beilstein Handbook Reference)
  • AI3-15375
  • BRN 1751370
  • Carboxyacetic acid
  • Dicarboxymethane
  • EINECS 205-503-0
  • Kyselina malonova
  • Kyselina malonova [Czech]
  • Malonic acid
  • Methanedicarboxylic acid
  • NSC 8124
  • Propanedioic acid
  • UNII-9KX7ZMG0MK
  • USAF EK-695

Systematic Names

  • Malonic acid
  • Propanedioic acid

Registry Numbers

CAS Registry Number

  • 141-82-2

FDA UNII

  • 9KX7ZMG0MK

Other Registry Number

  • 211863-95-5

Related Registry Numbers

  • 141-95-7 (di-hydrochloride salt)
  • 19455-76-6 (mono-calcium salt)
  • 23549-97-5 (hydrochloride salt)
  • 2757-18-8 (di-thallium salt)
  • 926-71-6 (potassium salt)

System Generated Number

  • 0000141822

Structure Descriptors

InChI

1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)

InChIKey

OFOBLEOULBTSOW-UHFFFAOYSA-N

Smiles

C(CC(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 4gm/kg (4000mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rabbit LDLo skin 10gm/kg (10000mg/kg)   BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971,
rat LC50 inhalation > 8900mg/m3/1H (8900mg/m3)   BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971,
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4937, 1982.
rat LD50 oral 1310mg/kg (1310mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 22-3/1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135 dec deg C   EXP
pKa Dissociation Constant 2.85 (none) 25 EXP
log P (octanol-water) -0.81 (none)   EXP
Water Solubility 7.63E+05 mg/L 25 EXP
Vapor Pressure 0.0015 mm Hg 25 EXP
Henry's Law Constant 2.69E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.57E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.